Crystal and molecular structure of 1,21-diacetoxy-11β,17-dihydroxy-4-methyl-19-norpregna-1,3,5(10),8(14)-tetraen-20-one,C25H30O7

The structure of the title compound has been determined by X-ray diffraction techniques. It crystallizes in the monoclinic space group P 2₁ with 2 formula units C₂₅H₃₀O₇ in the unit cell. The lattice constants are a = 10.194, b = 11.790, c = 9.515 Å, and β = 100.69°. The structure was solved by direct methods using MULTAN-78 and refined by least-squares calculations to R = 0.061. The molecular configuration and conformation are discussed. The influence of the acetoxy groups and the 11-hydroxyl group on the steroid backbone is of special interest. There are two symmetry independent intermolecular but no intramolecular hydrogen bridges.